4-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]-1-pentyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]cyclohexanecarbonitrile Formula: C29H45NO2 MolecularWeight: 439.6731

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(OC1)C2=CC=C(C=C2)C3CCC(CC3)(CCCCC)C#N

Isomeric SMILES

CCCCCCCC1COC(OC1)C2=CC=C(C=C2)C3CCC(CC3)(CCCCC)C#N

InChI

InChI=1S/C29H45NO2/c1-3-5-7-8-9-11-24-21-31-28(32-22-24)27-14-12-25(13-15-27)26-16-19-29(23-30,20-17-26)18-10-6-4-2/h12-15,24,26,28H,3-11,16-22H2,1-2H3